5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide

C15H20BrNO2 — CID 36553193

IUPAC5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO2/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(16)7-8-14(13)18/h7-9,11,18H,2-6,10H2,1H3
InChIKeyDEEADPOYBMMAPB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.81
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide

5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 36553193) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
PubChem CID36553193
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO2/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(16)7-8-14(13)18/h7-9,11,18H,2-6,10H2,1H3
InChIKeyDEEADPOYBMMAPB-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide (CID 36553193) is 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide is CN(CC1CCCCC1)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is DEEADPOYBMMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(16)7-8-14(13)18/h7-9,11,18H,2-6,10H2,1H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide?
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 36553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).